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name Structure Reference Source Properties Activities Metabolism

methyl (1R,12R,19R)-5-methoxy-12-[(1S)-1-[(3-methylbut-2-enoyl)oxy]ethyl]-8,16-diazapentacyclo[10.6.1.0¹,⁹.0²,⁷.0¹⁶,¹⁹]nonadeca-2(7),3,5,9-tetraene-10-carboxylate

AlkaPlorer ID: AK190943

Synonym: None

IUPAC Name: methyl (1R,12R,19R)-5-methoxy-12-[(1S)-1-(3-methylbut-2-enoyloxy)ethyl]-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5,9-tetraene-10-carboxylate

Structure

SMILES: COC(=O)C1=C2NC3=CC(OC)=CC=C3[C@@]23CCN2CCC[C@@]([C@H](C)OC(=O)C=C(C)C)(C1)[C@H]23

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InChI: InChI=1S/C27H34N2O5/c1-16(2)13-22(30)34-17(3)26-9-6-11-29-12-10-27(25(26)29)20-8-7-18(32-4)14-21(20)28-23(27)19(15-26)24(31)33-5/h7-8,13-14,17,25,28H,6,9-12,15H2,1-5H3/t17-,25-,26-,27-/m0/s1

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InChIKey: YTBDSGGHFWAARB-NPFRWRFASA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Alstonia mairei Alstonia Apocynaceae Gentianales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 466.5780000000003

TPSA？: 77.1

MolLogP？: 3.941700000000004

Number of H-Donors: 1

Number of H-Acceptors: 7

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information